[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H32N4O4S2/c1-2-28-15-17-29(18-16-28)26-27-23-12-9-21(19-24(23)35-26)34-25(31)20-7-10-22(11-8-20)36(32,33)30-13-5-3-4-6-14-30/h7-12,19H,2-6,13-18H2,1H3